1-(2-propan-2-ylthiomorpholin-4-yl)-2-(tetrazol-1-yl)ethanone

C10H17N5OS — CID 71993606

IUPAC1-(2-propan-2-ylthiomorpholin-4-yl)-2-(tetrazol-1-yl)ethanone
SMILESCC(C)C1CN(C(=O)Cn2cnnn2)CCS1
InChIInChI=1S/C10H17N5OS/c1-8(2)9-5-14(3-4-17-9)10(16)6-15-7-11-12-13-15/h7-9H,3-6H2,1-2H3
InChIKeyHVVQDBLBUQOWRC-UHFFFAOYSA-N
MW255.35 g/mol
LogP0.27
Rot. Bonds3

About 1-(2-propan-2-ylthiomorpholin-4-yl)-2-(tetrazol-1-yl)ethanone

1-(2-propan-2-ylthiomorpholin-4-yl)-2-(tetrazol-1-yl)ethanone (PubChem CID 71993606) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is 1-(2-propan-2-ylthiomorpholin-4-yl)-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-propan-2-ylthiomorpholin-4-yl)-2-(tetrazol-1-yl)ethanone
PubChem CID71993606
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name1-(2-propan-2-ylthiomorpholin-4-yl)-2-(tetrazol-1-yl)ethanone
SMILESCC(C)C1CN(C(=O)Cn2cnnn2)CCS1
InChIInChI=1S/C10H17N5OS/c1-8(2)9-5-14(3-4-17-9)10(16)6-15-7-11-12-13-15/h7-9H,3-6H2,1-2H3
InChIKeyHVVQDBLBUQOWRC-UHFFFAOYSA-N
XLogP0.27
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylthiomorpholin-4-yl)-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-(2-propan-2-ylthiomorpholin-4-yl)-2-(tetrazol-1-yl)ethanone (CID 71993606) is 1-(2-propan-2-ylthiomorpholin-4-yl)-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-(2-propan-2-ylthiomorpholin-4-yl)-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-(2-propan-2-ylthiomorpholin-4-yl)-2-(tetrazol-1-yl)ethanone is CC(C)C1CN(C(=O)Cn2cnnn2)CCS1.
What is the InChIKey of 1-(2-propan-2-ylthiomorpholin-4-yl)-2-(tetrazol-1-yl)ethanone?
The InChIKey is HVVQDBLBUQOWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-8(2)9-5-14(3-4-17-9)10(16)6-15-7-11-12-13-15/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-(2-propan-2-ylthiomorpholin-4-yl)-2-(tetrazol-1-yl)ethanone?
1-(2-propan-2-ylthiomorpholin-4-yl)-2-(tetrazol-1-yl)ethanone has a molecular weight of 255.35 g/mol, XLogP of 0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylthiomorpholin-4-yl)-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 71993606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).